Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C25H21N.ClH/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-19H,26H2;1H
SMILES [NH3+]c1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChI Key GGYQDMHUVMIEFM-UHFFFAOYSA-N
Molecular Formula C25H22ClN
Exact Mass 371.902 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GGYQDMHUVMIEFM-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/GGYQDMHUVMIEFM-UHFFFAOYSA-N/CHMO0000593
Version
Author Lisa Schmidt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:00:48.920380
MetadataModified 2024-09-08T02:00:48.920384
MetadataPublished 2023-11-24
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
146019163 PubChem
751021 eMolecules
CHEMBL1992106 ChEMBL
MolPort-044-567-475 MolPort
361283 PubChem
The data in this table is sourced from UniChem at EBI.